1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

C12H20F3NO — CID 71111905

IUPAC1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCCC1(C(=O)NCCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H20F3NO/c1-2-11(6-4-3-5-7-11)10(17)16-9-8-12(13,14)15/h2-9H2,1H3,(H,16,17)
InChIKeyKEVHTNOLCIYGET-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.42
Rot. Bonds4

About 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (PubChem CID 71111905) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
PubChem CID71111905
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCCC1(C(=O)NCCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H20F3NO/c1-2-11(6-4-3-5-7-11)10(17)16-9-8-12(13,14)15/h2-9H2,1H3,(H,16,17)
InChIKeyKEVHTNOLCIYGET-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 50944332
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3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724
3-cyclohexyl-N-propylpropanamide
CID 4451812
N-Ethylcyclohexaneacetamide
CID 19964821
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
N-butyl-3-cyclohexylpropanamide
CID 1756824
N-(4,4-dimethyl-7-oxooctyl)-2,2,2-trifluoroacetamide
CID 138974503
N-methyl-3-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 176432926
(1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 134223969
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53509297
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53511040

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (CID 71111905) is 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is CCC1(C(=O)NCCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is KEVHTNOLCIYGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-2-11(6-4-3-5-7-11)10(17)16-9-8-12(13,14)15/h2-9H2,1H3,(H,16,17).
What are the key properties of 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71111905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).